SCHEMBL9239762

SCHEMBL9239762

CCCCCCC[C@H]1CC[C@H](Cc2cc(S(=O)(=O)O)ccc2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SERPINE1 P05121 1/20 0.34
LSS P48449 3/20 0.34
CHRM1 P11229 2/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9239760 1.00 S1PR3 (0.39) S1PR3MEN1KMT2AHTTPKM
SCHEMBL9189352 0.89 S1PR3 (0.38) S1PR3MEN1KMT2AHTTPKM
SCHEMBL9263177 0.86 S1PR3 (0.36) S1PR3HTTPKMGAAMAPT
SCHEMBL9324766 0.83 NMT1 (0.43) NMT1
SCHEMBL9189219 0.82 ALDH1A1 (0.39) S1PR3HTTGAAMAPTALDH1A1
SCHEMBL7846676 0.82 PIK3CD (0.35) HTTGAAMAPTALDH1A1CYP3A4
SCHEMBL7735410 0.82 ALDH1A1 (0.40) MEN1KMT2AHTTPKMGAA
SCHEMBL20504425 0.80 NR1H2 (0.36) HTTGAA
SCHEMBL8578052 0.77 S1PR3 (0.47) S1PR3MEN1KMT2AHTTGAA
SCHEMBL451722 0.77 S1PR3 (0.47) S1PR3MEN1KMT2AHTTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5456859-A Electrooptical, used for displying THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1995-10-10 US disclosed
EP-0514476-A1 LIQUID CRYSTAL CYANOALKANES AND CYANOALKENES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1992-11-25 EP disclosed
WO-1991012233-A1 LIQUID CRYSTAL CYANOALKANES AND CYANOALKENES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-08-22 WO disclosed